Molecule card · MolClass #45822
24789774
24789774: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24789774Mitochondrial Fusion · compound_name
- MolClass ID
- 45822
- InChIKey
- UGRGSQHXKZRSIZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CC2CCCCC2(OC(=O)C[N+]1(C)(CCCCC1))
- Standard InChI
- InChI=1S/C18H34NO2/c1-15(2)13-16-9-5-6-10-17(16)21-18(20)14-19(3)11-7-4-8-12-19/h15-17H,4-14H2,1-3H3/q+1
- Stored Murcko scaffold
- O([CH]C[NH+]1CCCCC1)C2CCCCC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.469 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.21
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24789774